Decafluorobenzophenone - ≥98%(GC) , CAS No.853-39-4

CAS: 853-39-4 Cat. No.: D154814 Summenformel: C₁₃F₁₀O Molekulargewicht: 362.13 Beilstein Registry Number: 2066480 EG-Nummer: 212-717-8

GRADE & PURITY ≥98%(GC)

Synonyms

methanone, bis(2,3,4,5,6-pentafluorophenyl)- | Perfluorobenzophenone, 98% | Perfluorobenzophenone | DTXSID60234501 | SY048898 | FT-0624475 | Bis(perfluorophenyl)methanone | Decafluorobenzophenone | Bis(2,3,4,5,6-pentafluorophenyl)methanone # | Methanone,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

methanone, bis(2,3,4,5,6-pentafluorophenyl)- | Perfluorobenzophenone, 98% | Perfluorobenzophenone | DTXSID60234501 | SY048898 | FT-0624475 | Bis(perfluorophenyl)methanone | Decafluorobenzophenone | Bis(2,3,4,5,6-pentafluorophenyl)methanone # | Methanone,

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488184462
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184462
• Kanonisches Lächeln: C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F
• IUPAC Name: bis(2,3,4,5,6-pentafluorophenyl)methanone
• InChIKey: WWQLXRAKBJVNCC-UHFFFAOYSA-N
• INCHI: 1S/C13F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17
• Isomere SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F
• WGK Deutschland: 3
• Molekulargewicht: 362.13
• Beilstein: 2066480
• Reaxy-Rn: 2066476
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2066476&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Aryl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Ketone - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in methanol. Insoluble in water.
• Schmelzpunkt (°C): 93 °C
• Molekulargewicht: 362.120 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 2
• Exact Mass: 361.979 Da
• Monoisotopic Mass: 361.979 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 406.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 853-39-4, the molecular formula is C13F10O, and the molecular weight is 362.13 g/mol. InChIKey WWQLXRAKBJVNCC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.